smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1ccc([C@@H](Oc2ccc(O[P@](=O)([O-])O)cc2)C(F)(F)F)cc1	ZINC001234337235	1039972779	/nfs/dbraw/zinc/97/27/79/1039972779.db2.gz	YQVXJOMOGFMPEF-CYBMUJFWSA-N	-1	2	393.210	3.749	20	5		GHBDLM
O=[N+]([O-])c1ccc([C@@H](Oc2ccc(O[P@@](=O)([O-])O)cc2)C(F)(F)F)cc1	ZINC001234337235	1039972785	/nfs/dbraw/zinc/97/27/85/1039972785.db2.gz	YQVXJOMOGFMPEF-CYBMUJFWSA-N	-1	2	393.210	3.749	20	5		GHBDLM
CCc1cc(C)cc(CC)c1NS(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC001597471560	987935295	/nfs/dbraw/zinc/93/52/95/987935295.db2.gz	TZFXFKQXNNCCBQ-UHFFFAOYSA-N	-1	2	392.433	3.527	20	5		GHBDLM
O=C([O-])c1cc(NC(=O)CCOc2ccc3ccccc3c2)cc([N+](=O)[O-])c1	ZINC000833103319	600975122	/nfs/dbraw/zinc/97/51/22/600975122.db2.gz	VKWXFVGPDNQSLM-UHFFFAOYSA-N	-1	2	380.356	3.854	20	5		GHBDLM
CN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2cc(O)ccc2[N+](=O)[O-])C1	ZINC000448114754	872873981	/nfs/dbraw/zinc/87/39/81/872873981.db2.gz	XFLBDZBSRZXNBU-MDWZMJQESA-N	-1	2	391.383	3.533	20	5		GHBDLM
COc1cc(C[NH2+][C@H]2CCCc3cn(C4CCCC4)nc32)c([N+](=O)[O-])cc1O	ZINC000375829269	836025240	/nfs/dbraw/zinc/02/52/40/836025240.db2.gz	IWECEQCGXBBFIS-INIZCTEOSA-N	-1	2	386.452	3.788	20	5		GHBDLM
CCOc1ccc(-c2nnc(-c3cc([N+](=O)[O-])c(O)cc3[O-])o2)cc1OCC	ZINC001255041974	1040747436	/nfs/dbraw/zinc/74/74/36/1040747436.db2.gz	CRKWFUSYPNNKTI-UHFFFAOYSA-N	-1	2	387.348	3.520	20	5		GHBDLM
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1csc(-c2ccccc2)n1	ZINC000586750255	853520556	/nfs/dbraw/zinc/52/05/56/853520556.db2.gz	WTZKGOIUZRZUIE-UHFFFAOYSA-N	-1	2	391.430	3.533	20	5		GHBDLM
O=C(Nc1cc(Cl)cc(Br)c1[O-])c1cc(O)ccc1[N+](=O)[O-]	ZINC000560615981	933392246	/nfs/dbraw/zinc/39/22/46/933392246.db2.gz	YXBLVFWCFXRZFP-UHFFFAOYSA-N	-1	2	387.573	3.674	20	5		GHBDLM
COc1cc(C[NH2+]Cc2cc(C(F)(F)F)cc(Cl)n2)c([N+](=O)[O-])cc1O	ZINC000873169985	891497202	/nfs/dbraw/zinc/49/72/02/891497202.db2.gz	QYJNYAXLGUUKQT-UHFFFAOYSA-N	-1	2	391.733	3.666	20	5		GHBDLM
O=[N+]([O-])c1ccc([C@H](Oc2ccc(O[P@](=O)([O-])O)cc2)C(F)(F)F)cc1	ZINC001234337239	1039974289	/nfs/dbraw/zinc/97/42/89/1039974289.db2.gz	YQVXJOMOGFMPEF-ZDUSSCGKSA-N	-1	2	393.210	3.749	20	5		GHBDLM
O=[N+]([O-])c1ccc([C@H](Oc2ccc(O[P@@](=O)([O-])O)cc2)C(F)(F)F)cc1	ZINC001234337239	1039974290	/nfs/dbraw/zinc/97/42/90/1039974290.db2.gz	YQVXJOMOGFMPEF-ZDUSSCGKSA-N	-1	2	393.210	3.749	20	5		GHBDLM
CN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2ccc([N+](=O)[O-])c(O)c2)C1	ZINC000363378546	918177745	/nfs/dbraw/zinc/17/77/45/918177745.db2.gz	ZUKVMHMBHBEYJN-JYRVWZFOSA-N	-1	2	391.383	3.533	20	5		GHBDLM
Cc1cc(F)c(S(=O)(=O)Nc2c(C(=O)[O-])cccc2C(C)C)cc1[N+](=O)[O-]	ZINC000742027963	867017351	/nfs/dbraw/zinc/01/73/51/867017351.db2.gz	MAWOCHMOQMMZHQ-UHFFFAOYSA-N	-1	2	396.396	3.665	20	5		GHBDLM
C[C@@H](CC(=O)[O-])c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1	ZINC000541306169	873328794	/nfs/dbraw/zinc/32/87/94/873328794.db2.gz	HYNIMIANNLRVCE-JTQLQIEISA-N	-1	2	398.824	3.627	20	5		GHBDLM
C[C@H](CC(=O)[O-])c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1	ZINC000541306170	873328733	/nfs/dbraw/zinc/32/87/33/873328733.db2.gz	HYNIMIANNLRVCE-SNVBAGLBSA-N	-1	2	398.824	3.627	20	5		GHBDLM
CC(C)CCc1ccccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC001591270370	992188910	/nfs/dbraw/zinc/18/89/10/992188910.db2.gz	PKNGRYRJXIKZKV-UHFFFAOYSA-N	-1	2	392.433	3.682	20	5		GHBDLM
O=[N+]([O-])c1cc(-c2nnc(-c3cc(F)cc(Br)c3)o2)c([O-])cc1O	ZINC001255965521	1041446347	/nfs/dbraw/zinc/44/63/47/1041446347.db2.gz	AWFPFWMYWDZEHM-UHFFFAOYSA-N	-1	2	396.128	3.625	20	5		GHBDLM
O=[N+]([O-])c1cc(Cc2nc(-c3ccc4[n-]c(=S)sc4c3)no2)ccc1O	ZINC001247987169	1038526527	/nfs/dbraw/zinc/52/65/27/1038526527.db2.gz	KVZLFDCJCAEKPS-UHFFFAOYSA-N	-1	2	386.414	3.840	20	5		GHBDLM
O=C(Nc1cc(Cl)cc(Br)c1O)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000174922219	851124761	/nfs/dbraw/zinc/12/47/61/851124761.db2.gz	BQZCCURNWCFLOT-UHFFFAOYSA-N	-1	2	387.573	3.674	20	5		GHBDLM
CCOc1cc(-c2noc(-c3ccc([N+](=O)[O-])[nH]3)n2)cc(Br)c1O	ZINC000436887880	852460551	/nfs/dbraw/zinc/46/05/51/852460551.db2.gz	LRMRWIDMDJUZRM-UHFFFAOYSA-N	-1	2	395.169	3.507	20	5		GHBDLM
COc1cc(C[NH2+][C@@H]2CCCc3cn(C4CCCC4)nc32)c([N+](=O)[O-])cc1O	ZINC000375829271	836024769	/nfs/dbraw/zinc/02/47/69/836024769.db2.gz	IWECEQCGXBBFIS-MRXNPFEDSA-N	-1	2	386.452	3.788	20	5		GHBDLM
COc1cc(C[NH2+]Cc2ccncc2OCCC(C)(C)C)c([N+](=O)[O-])cc1O	ZINC000583344482	849678655	/nfs/dbraw/zinc/67/86/55/849678655.db2.gz	OYILWSRPYCIIBJ-UHFFFAOYSA-N	-1	2	389.452	3.809	20	5		GHBDLM
O=C(Nc1cc(Br)cc(Cl)c1[O-])c1cc(O)ccc1[N+](=O)[O-]	ZINC000574047314	857227188	/nfs/dbraw/zinc/22/71/88/857227188.db2.gz	WTMUQWBAOIWFDH-UHFFFAOYSA-N	-1	2	387.573	3.674	20	5		GHBDLM